N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide

C11H10F2N4O2S — CID 62143840

IUPACN-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C11H10F2N4O2S/c1-14-11-15-5-8(6-16-11)20(18,19)17-10-3-2-7(12)4-9(10)13/h2-6,17H,1H3,(H,14,15,16)
InChIKeyFPJCETGKISZEJR-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.60
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62143840) has the molecular formula C11H10F2N4O2S and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62143840
Molecular FormulaC11H10F2N4O2S
Molecular Weight300.29 g/mol
Exact Mass300.05
IUPAC NameN-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C11H10F2N4O2S/c1-14-11-15-5-8(6-16-11)20(18,19)17-10-3-2-7(12)4-9(10)13/h2-6,17H,1H3,(H,14,15,16)
InChIKeyFPJCETGKISZEJR-UHFFFAOYSA-N
XLogP1.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
N-(2,4-difluorophenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143667
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
N-(2,4-difluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304009
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 62143840) is N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is FPJCETGKISZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2S/c1-14-11-15-5-8(6-16-11)20(18,19)17-10-3-2-7(12)4-9(10)13/h2-6,17H,1H3,(H,14,15,16).
What are the key properties of N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 300.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62143840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).